1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole

C20H25Cl2N3O — CID 123281422

IUPAC1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole
SMILESCc1cc(OCC2CCC2CN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H25Cl2N3O/c1-14-10-20(23-25(14)17-6-7-18(21)19(22)11-17)26-13-16-5-4-15(16)12-24-8-2-3-9-24/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3
InChIKeyILFIAWHDYGTDNH-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.99
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole

1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole (PubChem CID 123281422) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole
PubChem CID123281422
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole
SMILESCc1cc(OCC2CCC2CN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H25Cl2N3O/c1-14-10-20(23-25(14)17-6-7-18(21)19(22)11-17)26-13-16-5-4-15(16)12-24-8-2-3-9-24/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3
InChIKeyILFIAWHDYGTDNH-UHFFFAOYSA-N
XLogP4.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole (CID 123281422) is 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole is Cc1cc(OCC2CCC2CN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole?
The InChIKey is ILFIAWHDYGTDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O/c1-14-10-20(23-25(14)17-6-7-18(21)19(22)11-17)26-13-16-5-4-15(16)12-24-8-2-3-9-24/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole?
1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole has a molecular weight of 394.35 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole is sourced from PubChem (CID 123281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).